N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

C19H15FN2O3S — CID 95344793

IUPACN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H15FN2O3S/c20-13-4-1-3-11-14(8-10-26-17(11)13)21-18(23)12-6-7-15(22-19(12)24)16-5-2-9-25-16/h1-7,9,14H,8,10H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyKGEORDYIDHEOSI-AWEZNQCLSA-N
MW370.41 g/mol
LogP3.74
Rot. Bonds3

About N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95344793) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95344793
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H15FN2O3S/c20-13-4-1-3-11-14(8-10-26-17(11)13)21-18(23)12-6-7-15(22-19(12)24)16-5-2-9-25-16/h1-7,9,14H,8,10H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyKGEORDYIDHEOSI-AWEZNQCLSA-N
XLogP3.74
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-(furan-2-yl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95622343
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 94873327
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitrobenzamide
CID 25401649
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2,7-dimethylquinoline-3-carboxamide
CID 97007043
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 120535956
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
5-bromo-2-(dimethylamino)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
CID 102557076

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 95344793) is N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KGEORDYIDHEOSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-13-4-1-3-11-14(8-10-26-17(11)13)21-18(23)12-6-7-15(22-19(12)24)16-5-2-9-25-16/h1-7,9,14H,8,10H2,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95344793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).